Sinapyl Alcohol Diacetate (C15 H18 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 294.29982
This is of the category: Monomers
Concentration: 40 mg/ml (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.51 | 4 |
| C2 | AcMe | 21.05 | 4 |
| C3 | OMe | 56.21 | 1 |
| C4 | OMe | 56.21 | 1 |
| C7 | G | 64.90 | 1 |
| C8 | 2 | 103.38 | 1 |
| C9 | 6 | 103.38 | 1 |
| C5 | B | 123.71 | 1 |
| C15 | 4 | 128.75 | 1 |
| C6 | A | 134.01 | 1 |
| C12 | 1 | 134.71 | 1 |
| C13 | 3 | 152.28 | 1 |
| C14 | 5 | 152.28 | 1 |
| C11 | 4AcC=O | 168.71 | 1 |
| C10 | GAcC=O | 170.85 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.26 | 4 |
| C2 | AcMe | 20.79 | 4 |
| C3 | OMe | 56.47 | 1 |
| C4 | OMe | 56.47 | 1 |
| C7 | G | 65.13 | 1 |
| C8 | 2 | 104.18 | 1 |
| C9 | 6 | 104.18 | 1 |
| C5 | B | 124.99 | 1 |
| C15 | 4 | 129.68 | 1 |
| C6 | A | 134.04 | 1 |
| C12 | 1 | 135.67 | 1 |
| C13 | 3 | 153.36 | 1 |
| C14 | 5 | 153.36 | 1 |
| C11 | 4AcC=O | 168.51 | 1 |
| C10 | GAcC=O | 170.72 | 1 |
| H23 | AcMe | 2.04 | 4 |
| H22 | AcMe | 2.04 | 4 |
| H24 | AcMe | 2.04 | 4 |
| H26 | AcMe | 2.22 | 4 |
| H25 | AcMe | 2.22 | 4 |
| H27 | AcMe | 2.22 | 4 |
| H30 | OMe | 3.82 | 1 |
| H29 | OMe | 3.82 | 1 |
| H28 | OMe | 3.82 | 1 |
| H31 | OMe | 3.82 | 1 |
| H33 | OMe | 3.82 | 1 |
| H32 | OMe | 3.82 | 1 |
| H37 | G | 4.69 | 1 |
| H38 | 2 | 6.84 | 1 |
| H39 | 6 | 6.84 | 1 |
| H34 | B | 6.38 | 1 |
| H35 | A | 6.66 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.05 | 4 |
| C2 | AcMe | 20.62 | 4 |
| C3 | OMe | 55.90 | 1 |
| C4 | OMe | 55.90 | 1 |
| C7 | G | 64.06 | 1 |
| C8 | 2 | 103.22 | 1 |
| C9 | 6 | 103.22 | 1 |
| C5 | B | 124.32 | 1 |
| C15 | 4 | 127.69 | 1 |
| C6 | A | 132.55 | 1 |
| C12 | 1 | 134.33 | 1 |
| C13 | 3 | 151.73 | 1 |
| C14 | 5 | 151.73 | 1 |
| C11 | 4AcC=O | 167.95 | 1 |
| C10 | GAcC=O | 170.01 | 1 |